Accurate prediction of dynamic protein-ligand binding using P-score ranking

© 2024 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 45(2024), 20 vom: 30. Juli, Seite 1762-1778
Auteur principal: Ibrahim, Peter E G F (Auteur)
Autres auteurs: Zuccotto, Fabio, Zachariae, Ulrich, Gilbert, Ian, Bodkin, Mike
Format: Article en ligne
Langue:English
Publié: 2024
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article P‐score binding pose prediction dynamic average quantum mechanics fragment molecular orbital supervised molecular dynamics Ligands Proteins